2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid

C10H10N4O3 — CID 106400809

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCc1ncno1
InChIInChI=1S/C10H10N4O3/c15-10(16)7-2-1-4-11-9(7)12-5-3-8-13-6-14-17-8/h1-2,4,6H,3,5H2,(H,11,12)(H,15,16)
InChIKeyNSJNDXQWSSSHIN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.82
Rot. Bonds5

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106400809) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106400809
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCCc1ncno1
InChIInChI=1S/C10H10N4O3/c15-10(16)7-2-1-4-11-9(7)12-5-3-8-13-6-14-17-8/h1-2,4,6H,3,5H2,(H,11,12)(H,15,16)
InChIKeyNSJNDXQWSSSHIN-UHFFFAOYSA-N
XLogP0.82
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106408720
3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 113253242
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
2-fluoro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 114185307
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 114184452
2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
CID 61218906
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid (CID 106400809) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCCc1ncno1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is NSJNDXQWSSSHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-10(16)7-2-1-4-11-9(7)12-5-3-8-13-6-14-17-8/h1-2,4,6H,3,5H2,(H,11,12)(H,15,16).
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106400809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).